Miguel, is this the sort of thing you are talking about wanting to be able to do
in Jmol?
From something like this:
4.910 4.910 5.402
90.000 90.000 120.000
SPGR =154 P 32 2 1 OPT = 1
1 Si1 0.48078 0.48078 0.00000
2 O2 0.15018 0.41459 0.11650
going to something like the first model at
http://www.stolaf.edu/people/hansonr/mo/acs2001/models.htm
? (That model is, in fact, derived from the above data, but not using Jmol.)
If so, we'll need to design a syntax for describing how many unit cells to
include and in what direction.
Q: Does Jmol read cssr file formats?
http://www.chem.cmu.edu/courses/09-560/docs/msi/modenv/D_Files.html#944777
I'm not sure how prevelent those are anymore.
I must say, it fascinates me that two coordinates and an understanding of the
crystallographic parameters can generate so "complex" a structure.
Bob
--
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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